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Chemical ID: 7715315
Chemical ID:
7715315
Name [?]:
None
SMILES [?]:
CCOc1cc(c(cc1OCC)Cl)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C17H17ClFNO3/c1-3-22-15-9-13(18)14(10-16(15)23-4-2)20-17(21)11-5-7-12(19)8-6-11/h5-10H,3-4H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:12,1,11,2,18,22,19,21,8,5,17,20,7,6,9,4,15,13,23,14,16,10,3/E:(5,6)(7,8)/rA:23nCCOCCCCCCOCCClNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s6;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClFNO3 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.01065 |
Area: | 535.166 |
Solvation: | -5.3685 |
Coulombic: | -39.9324 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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